SCHEMBL8316573

SCHEMBL8316573

COCCCN1CC(=O)Nc2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
EPHX2 P34913 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2A P28223 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8314411 0.90 ALDH1A1 (0.38) ALDH1A1KDM4EEPHX2KMT2AMEN1
SCHEMBL8317748 0.85 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL8315607 0.85 EPHX2 (0.39) ALDH1A1KDM4EEPHX2KMT2AMEN1
SCHEMBL24359573 0.82 EPHX2 (0.56) ALDH1A1KDM4EEPHX2KMT2AMEN1
SCHEMBL31083654 0.75 CYP11B1 (0.53) ALDH1A1KMT2AMEN1OPRM1OPRL1
SCHEMBL13150727 0.75 CYP11B1 (0.53) ALDH1A1KMT2AMEN1OPRM1OPRL1
SCHEMBL6540849 0.70 KMT2A (0.50) EPHX2KMT2AMEN1TP53DRD3
SCHEMBL9375313 0.70 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AMEN1OPRM1
SCHEMBL8315186 0.70 APOBEC3G (0.42) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL22278578 0.69 KMT2A (0.46) ALDH1A1KDM4EEPHX2KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed